ethyl 1-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]isonipecotic acid ethyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-2-29-21(26)14-9-11-23(12-10-14)20(25)18-13-16(24(27)28)5-8-19(18)30-17-6-3-15(22)4-7-17/h3-8,13-14H,2,9-12H2,1H3